LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# 3d Lennard-Jones melt

units		lj
atom_style	atomic
processors      * 1 1

lattice		fcc 0.8442
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
region		box block 0 10 0 10 0 10
create_box	3 box
Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
  2 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 4000 atoms
  Time spent = 0.000491142 secs
mass		* 1.0

region		long block 3 6 0 10 0 10
set             region long type 2
  1400 settings made for type

velocity	all create 1.0 87287

pair_style	lj/cut 2.5
pair_coeff	* * 1.0 1.0 2.5
pair_coeff      * 2 1.0 1.0 5.0

neighbor	0.3 bin
neigh_modify	every 2 delay 4 check yes
fix		p all property/atom d_WEIGHT
compute		p all property/atom d_WEIGHT

group		fast type 1
2600 atoms in group fast
group		slow type 2
1400 atoms in group slow
balance		1.0 shift x 10 1.0                 weight group 2 fast 0.8 slow 2.5 weight store WEIGHT
Neighbor list info ...
  update every 2 steps, delay 4 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 5.3
  ghost atom cutoff = 5.3
  binsize = 2.65, bins = 7 7 7
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
  rebalancing time: 0.000805378 seconds
  iteration count = 10
  group weights: fast=0.8 slow=2.5
  storing weight in atom property d_WEIGHT
  initial/final max load/proc = 2960 3120
  initial/final imbalance factor = 1.06093 1.11828
  x cuts: 0 0.449707 1
  y cuts: 0 1
  z cuts: 0 1
variable	lastweight atom c_p

fix		0 all balance 50 1.0 shift x 10 1.0                 weight var lastweight weight time 0.5 weight store WEIGHT
variable	maximb equal f_0[1]
variable	iter   equal f_0[2]
variable 	prev   equal f_0[3]
variable	final  equal f_0

#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"

fix		1 all nve

#dump		id all atom 50 dump.melt
#dump		id all custom 50 dump.lammpstrj id type x y z c_p

#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
#dump_modify	2 pad 3

#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
#dump_modify	3 pad 3

thermo		50
run		500
Per MPI rank memory allocation (min/avg/max) = 4.708 | 4.876 | 5.044 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
       0            1   -6.9453205            0   -5.4456955   -5.6812358    4738.2137 
      50   0.49578514   -6.1929216            0   -5.4494298   -1.6668039    4738.2137 
     100   0.53275389   -6.2475932            0   -5.4486622   -1.9063885    4738.2137 
     150   0.53316457   -6.2483202            0   -5.4487733   -1.9476162    4738.2137 
     200     0.536665   -6.2530113            0    -5.448215    -1.933468    4738.2137 
     250   0.55006273     -6.27163            0   -5.4467422   -2.0438847    4738.2137 
     300   0.55111476   -6.2727642            0   -5.4462987   -2.0384873    4738.2137 
     350   0.55211503    -6.274054            0   -5.4460885   -2.0116976    4738.2137 
     400   0.54638463   -6.2661715            0   -5.4467995    -1.992248    4738.2137 
     450   0.55885307   -6.2852263            0   -5.4471563   -2.0669747    4738.2137 
     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802    4738.2137 
Loop time of 5.01752 on 2 procs for 500 steps with 4000 atoms

Performance: 43049.176 tau/day, 99.651 timesteps/s
98.5% CPU use with 2 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.4325     | 2.6317     | 3.8309     |  73.9 | 52.45
Neigh   | 0.72307    | 0.89995    | 1.0768     |  18.6 | 17.94
Comm    | 0.08143    | 1.4587     | 2.836      | 114.0 | 29.07
Output  | 0.00034356 | 0.00034773 | 0.00035191 |   0.0 |  0.01
Modify  | 0.015713   | 0.017661   | 0.01961    |   1.5 |  0.35
Other   |            | 0.009141   |            |       |  0.18

Nlocal:    2000 ave 2500 max 1500 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost:    10457 ave 11055 max 9859 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs:    298070 ave 483758 max 112381 min
Histogram: 1 0 0 0 0 0 0 0 0 1

Total # of neighbors = 596139
Ave neighs/atom = 149.035
Neighbor list builds = 51
Dangerous builds = 0
run		500
Per MPI rank memory allocation (min/avg/max) = 5.092 | 5.269 | 5.445 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
     500   0.54587069   -6.2662849            0   -5.4476836   -2.0078802    4738.2137 
     550   0.54137926   -6.2592773            0   -5.4474115   -1.9770236    4738.2137 
     600   0.54022886   -6.2573307            0     -5.44719   -1.9619637    4738.2137 
     650   0.54709009   -6.2678862            0   -5.4474562   -1.9958342    4738.2137 
     700   0.54590044   -6.2656903            0   -5.4470444   -1.9957108    4738.2137 
     750   0.55098488   -6.2724831            0   -5.4462124   -2.0287523    4738.2137 
     800    0.5520987   -6.2739184            0   -5.4459774   -2.0084991    4738.2137 
     850   0.54963958   -6.2702473            0    -5.445994   -1.9740031    4738.2137 
     900   0.54390586   -6.2615476            0   -5.4458927   -1.9400871    4738.2137 
     950   0.54741732   -6.2665755            0   -5.4456548   -1.9466417    4738.2137 
    1000   0.54200867   -6.2591246            0   -5.4463148   -1.8881624    4738.2137 
Loop time of 5.38962 on 2 procs for 500 steps with 4000 atoms

Performance: 40077.052 tau/day, 92.771 timesteps/s
98.0% CPU use with 2 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.93627    | 2.5477     | 4.1591     | 101.0 | 47.27
Neigh   | 0.61458    | 0.87078    | 1.127      |  27.5 | 16.16
Comm    | 0.072418   | 1.9424     | 3.8124     | 134.2 | 36.04
Output  | 0.00034833 | 0.00035048 | 0.00035262 |   0.0 |  0.01
Modify  | 0.014652   | 0.018169   | 0.021687   |   2.6 |  0.34
Other   |            | 0.01024    |            |       |  0.19

Nlocal:    2000 ave 2561 max 1439 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost:    10257 ave 11109 max 9405 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs:    300836 ave 498670 max 103001 min
Histogram: 1 0 0 0 0 0 0 0 0 1

Total # of neighbors = 601671
Ave neighs/atom = 150.418
Neighbor list builds = 51
Dangerous builds = 0

balance		1.0 shift x 10 1.0                 weight group 2 fast 0.8 slow 2.5 weight store WEIGHT
  rebalancing time: 0.000744104 seconds
  iteration count = 10
  group weights: fast=0.8 slow=2.5
  storing weight in atom property d_WEIGHT
  initial/final max load/proc = 4428.8 2798.1
  initial/final imbalance factor = 1.58738 1.0029
  x cuts: 0 0.45485 1
  y cuts: 0 1
  z cuts: 0 1

fix		0 all balance 50 1.0 shift x 5 1.0                 weight var lastweight weight neigh 0.5 weight store WEIGHT

run             500
Per MPI rank memory allocation (min/avg/max) = 5.098 | 5.464 | 5.83 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
    1000   0.54200867   -6.2591246            0   -5.4463148   -1.8881624    4738.2137 
    1050   0.54633412   -6.2656384            0   -5.4463421   -1.9012895    4738.2137 
    1100   0.54325667   -6.2612166            0   -5.4465353   -1.8870463    4738.2137 
    1150   0.55057583   -6.2719187            0   -5.4462614   -1.9575881    4738.2137 
    1200   0.53728175    -6.251744            0   -5.4460228   -1.8124097    4738.2137 
    1250   0.54077561   -6.2567544            0   -5.4457938   -1.8418134    4738.2137 
    1300   0.54430333    -6.260995            0   -5.4447442    -1.856351    4738.2137 
    1350   0.55097839   -6.2715909            0   -5.4453299   -1.9014337    4738.2137 
    1400   0.53858139   -6.2526781            0    -5.445008   -1.7965773    4738.2137 
    1450   0.54218439   -6.2574683            0    -5.444395   -1.7901189    4738.2137 
    1500   0.54200616   -6.2571433            0   -5.4443373   -1.8000345    4738.2137 
Loop time of 5.50675 on 2 procs for 500 steps with 4000 atoms

Performance: 39224.584 tau/day, 90.798 timesteps/s
98.0% CPU use with 2 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.1091     | 2.6165     | 4.124      |  93.2 | 47.51
Neigh   | 0.49666    | 0.88338    | 1.2701     |  41.1 | 16.04
Comm    | 0.079062   | 1.9768     | 3.8745     | 135.0 | 35.90
Output  | 0.00032926 | 0.00041151 | 0.00049376 |   0.0 |  0.01
Modify  | 0.012776   | 0.018102   | 0.023428   |   4.0 |  0.33
Other   |            | 0.01156    |            |       |  0.21

Nlocal:    2000 ave 3010 max 990 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost:    10343 ave 12129 max 8557 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs:    302958 ave 519016 max 86901 min
Histogram: 1 0 0 0 0 0 0 0 0 1

Total # of neighbors = 605917
Ave neighs/atom = 151.479
Neighbor list builds = 51
Dangerous builds = 0
run             500
Per MPI rank memory allocation (min/avg/max) = 5.847 | 5.872 | 5.897 Mbytes
Step Temp E_pair E_mol TotEng Press Volume 
    1500   0.54200616   -6.2571433            0   -5.4443373   -1.8000345    4738.2137 
    1550    0.5371361    -6.250403            0   -5.4449003   -1.7647032    4738.2137 
    1600   0.54679571   -6.2646443            0   -5.4446558   -1.8115722    4738.2137 
    1650   0.53806587   -6.2519009            0   -5.4450039   -1.7409152    4738.2137 
    1700   0.53479436   -6.2469032            0   -5.4449122   -1.7162441    4738.2137 
    1750   0.53714071   -6.2506513            0   -5.4451416   -1.7340205    4738.2137 
    1800   0.52750533   -6.2358819            0   -5.4448217    -1.687537    4738.2137 
    1850   0.54585346    -6.262937            0   -5.4443615   -1.7758597    4738.2137 
    1900   0.53011247   -6.2387653            0   -5.4437954   -1.6382086    4738.2137 
    1950   0.54287683   -6.2583097            0   -5.4441981   -1.7367469    4738.2137 
    2000   0.52771288   -6.2349676            0   -5.4435962   -1.5593804    4738.2137 
Loop time of 5.80884 on 2 procs for 500 steps with 4000 atoms

Performance: 37184.695 tau/day, 86.076 timesteps/s
97.7% CPU use with 2 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.71314    | 2.5435     | 4.3738     | 114.8 | 43.79
Neigh   | 0.39935    | 0.85806    | 1.3168     |  49.5 | 14.77
Comm    | 0.082629   | 2.3761     | 4.6695     | 148.8 | 40.90
Output  | 0.00034571 | 0.00044024 | 0.00053477 |   0.0 |  0.01
Modify  | 0.011643   | 0.018227   | 0.024811   |   4.9 |  0.31
Other   |            | 0.01257    |            |       |  0.22

Nlocal:    2000 ave 3032 max 968 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost:    10266 ave 12245 max 8287 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs:    303998 ave 525128 max 82868 min
Histogram: 1 0 0 0 0 0 0 0 0 1

Total # of neighbors = 607996
Ave neighs/atom = 151.999
Neighbor list builds = 51
Dangerous builds = 0
Total wall time: 0:00:21
